CHARGE-DISTRIBUTIONS AND VALENCY IN COPPER-OXIDE CRYSTALS RELATED TO SUPERCONDUCTIVITY

被引：49
作者：
GOODMAN, GL
ELLIS, DE
ALP, EE
SODERHOLM, L
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1989年 / 91卷 / 05期
关键词：
D O I：
10.1063/1.456919
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：2983 / 2992
页数：10
相关论文
共 32 条
[1]   DETERMINATION OF VALENCE OF CU IN SUPERCONDUCTING LA2-X(SR,BA)XCUO4 [J].
ALP, EE ;
SHENOY, GK ;
HINKS, DG ;
CAPONE, DW ;
SODERHOLM, L ;
SCHUTTLER, HB ;
GUO, J ;
ELLIS, DE ;
MONTANO, PA ;
RAMANATHAN, M .
PHYSICAL REVIEW B, 1987, 35 (13) :7199-7202
[2]  
ALP EE, IN PRESS J PHYS COND
[3]   EFFICIENT NUMERICAL MULTICENTER BASIS SET FOR MOLECULAR-ORBITAL CALCULATIONS - APPLICATION TO FECL4 [J].
AVERILL, FW ;
ELLIS, DE .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) :6412-6418
[4]   Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J].
Baerends, E. J. ;
Ellis, D. E. ;
Ros, P. .
CHEMICAL PHYSICS, 1973, 2 (01) :41-51
[5]   POSSIBLE HIGH-TC SUPERCONDUCTIVITY IN THE BA-LA-CU-O SYSTEM [J].
BEDNORZ, JG ;
MULLER, KA .
ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1986, 64 (02) :189-193
[6]   STRUCTURE OF THE SINGLE-PHASE HIGH-TEMPERATURE SUPERCONDUCTOR YBA2CU3O7-DELTA [J].
BENO, MA ;
SODERHOLM, L ;
CAPONE, DW ;
HINKS, DG ;
JORGENSEN, JD ;
GRACE, JD ;
SCHULLER, IK ;
SEGRE, CU ;
ZHANG, K .
APPLIED PHYSICS LETTERS, 1987, 51 (01) :57-59
[7]  
da Providencia J, 1985, DENSITY FUNCTIONAL M
[8]   EFFICIENT AND ACCURATE EXPANSION METHODS FOR MOLECULES IN LOCAL DENSITY MODELS [J].
DELLEY, B ;
ELLIS, DE .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (04) :1949-1960
[9]   Discrete variational method for the energy-band problem with general crystal potentials [J].
Ellis, D. E. ;
Painter, G. S. .
PHYSICAL REVIEW B-SOLID STATE, 1970, 2 (08) :2887-2898
[10]   SELF-CONSISTENT DIRAC SLATER CALCULATIONS FOR MOLECULES AND EMBEDDED CLUSTERS [J].
ELLIS, DE ;
GOODMAN, GL .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 25 (01) :185-200
1234